6-fluoranyl-1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid Openeye Name: 6-fluoro-1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid CAS Name: 6-fluoro-1-[(4-methylsulfonylphenyl)methyl]-3-indolecarboxylic acid IUPAC Name: 6-fluoro-1-[(4-methylsulfonylphenyl)methyl]indole-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-mesylbenzyl)indole-3-carboxylic acid Formula: C17H14FNO4S MolecularWeight: 347.360763

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C3=C2C=C(C=C3)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=C(C3=C2C=C(C=C3)F)C(=O)O

InChI

InChI=1S/C17H14FNO4S/c1-24(22,23)13-5-2-11(3-6-13)9-19-10-15(17(20)21)14-7-4-12(18)8-16(14)19/h2-8,10H,9H2,1H3,(H,20,21)